{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.99276 ] [ 0.333333 0.666667 0.50724 ] [ 0.666667 0.333333 0.00724 ] [ 0.666667 0.333333 0.49276 ] [ 0.329407 0.995083 0.377646 ] [ 0.004917 0.334324 0.377646 ] [ 0.665676 0.670593 0.377646 ] [ 0.004917 0.670593 0.122354 ] [ 0.665676 0.995083 0.122354 ] [ 0.329407 0.334324 0.122354 ] [ 0.670593 0.004917 0.622354 ] [ 0.995083 0.665676 0.622354 ] [ 0.334324 0.329407 0.622354 ] [ 0.995083 0.329407 0.877646 ] [ 0.334324 0.004917 0.877646 ] [ 0.670593 0.665676 0.877646 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 6.89726057119 "source-unit" "angstrom" } "c" { "source-value" 12.30005827 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.9486514884999995 "source-unit" "eV" } }